AI56032
75825-60-4 | 2-Methoxypyrimidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI56032
ChemicalName
2-Methoxypyrimidine-4-carboxylic acid
CasNumber
75825-60-4
MolecularFormula
C6H6N2O3
MolecularWeight
154.1234
MdlNumber
MFCD16657305
Smiles
COc1nccc(n1)C(=O)O
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.4
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CatalogNumber: AI56032
ChemicalName: 2-Methoxypyrimidine-4-carboxylic acid
CasNumber: 75825-60-4
MolecularFormula: C6H6N2O3
MolecularWeight: 154.1234
MdlNumber: MFCD16657305
Smiles: COc1nccc(n1)C(=O)O
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AI56032
ChemicalName:
2-Methoxypyrimidine-4-carboxylic acid
CasNumber:
75825-60-4
MolecularFormula:
C6H6N2O3
MolecularWeight:
154.1234
MdlNumber:
MFCD16657305
Smiles:
COc1nccc(n1)C(=O)O
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@@H]([C@H]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO
Complexity: 1480
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -15
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@@H]([C@H]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO
Complexity:
1480
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-15
CatalogNumber: AI56034
ChemicalName: Biphenyl-3-ylacetic acid methyl ester
CasNumber: 75852-28-7
MolecularFormula: C15H14O2
MolecularWeight: 226.2705
MdlNumber: MFCD22666014
Smiles: COC(=O)Cc1cccc(c1)c1ccccc1
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AI56034
ChemicalName:
Biphenyl-3-ylacetic acid methyl ester
CasNumber:
75852-28-7
MolecularFormula:
C15H14O2
MolecularWeight:
226.2705
MdlNumber:
MFCD22666014
Smiles:
COC(=O)Cc1cccc(c1)c1ccccc1
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: AI56035
ChemicalName: [2-Fluoro-5-(prop-2-enamido)phenyl]boronic acid
CasNumber: 758697-67-5
MolecularFormula: C9H9BFNO3
MolecularWeight: 208.9821
MdlNumber: MFCD22571889
Smiles: C=CC(=O)Nc1ccc(c(c1)B(O)O)F
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AI56035
ChemicalName:
[2-Fluoro-5-(prop-2-enamido)phenyl]boronic acid
CasNumber:
758697-67-5
MolecularFormula:
C9H9BFNO3
MolecularWeight:
208.9821
MdlNumber:
MFCD22571889
Smiles:
C=CC(=O)Nc1ccc(c(c1)B(O)O)F
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
__